YPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C40 | sing | 1.43Å | 1.43Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C42 | N35 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| N35 | C38 | sing | 1.47Å | 1.47Å | |
| N35 | C36 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| O34 | C37 | sing | 1.43Å | 1.46Å | |
| O34 | C9 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.40Å | |
| C1 | C2 | doub | 1.36Å | 1.35Å | Aromatic |
| C1 | C5 | sing | 1.46Å | 1.35Å | Aromatic |
| C2 | O3 | sing | 1.35Å | 1.36Å | Aromatic |
| N44 | C16 | sing | 1.47Å | 1.49Å | |
| N44 | C15 | sing | 1.38Å | 1.34Å | |
| C5 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| O3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N14 | doub | 1.33Å | 1.35Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C4 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O33 | C25 | doub | 1.22Å | 1.23Å | |
| C32 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | N26 | sing | 1.35Å | 1.34Å | |
| C25 | N24 | sing | 1.35Å | 1.35Å | |
| C27 | N26 | sing | 1.40Å | 1.34Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| N12 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | N24 | sing | 1.40Å | 1.35Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | H1 | sing | 1.09Å | 1.10Å | |
| C38 | H2 | sing | 1.09Å | 1.10Å | |
| C39 | H3 | sing | 1.09Å | 1.10Å | |
| C39 | H4 | sing | 1.09Å | 1.10Å | |
| C40 | H5 | sing | 1.09Å | 1.10Å | |
| O43 | H6 | sing | 0.97Å | 0.95Å | |
| C41 | H7 | sing | 1.09Å | 1.10Å | |
| C41 | H8 | sing | 1.09Å | 1.10Å | |
| C42 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.08Å | 1.08Å | |
| N44 | H22 | sing | 0.97Å | 1.00Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| N24 | H31 | sing | 0.97Å | 1.00Å | |
| N26 | H32 | sing | 0.97Å | 1.00Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.08Å | 1.08Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C40 | C41 | 109.6° | 109.6° |
| O43 | C40 | C39 | 109.8° | 109.5° |
| O43 | C40 | H5 | 109.9° | 109.5° |
| C40 | O43 | H6 | 109.5° | 114.0° |
| C40 | C41 | C42 | 110.7° | 109.3° |
| C41 | C40 | C39 | 110.5° | 109.1° |
| C41 | C40 | H5 | 108.5° | 109.6° |
| C40 | C41 | H7 | 109.2° | 109.5° |
| C40 | C41 | H8 | 109.2° | 109.5° |
| C41 | C42 | N35 | 109.3° | 109.5° |
| C42 | C41 | H7 | 109.2° | 109.5° |
| C42 | C41 | H8 | 109.2° | 109.5° |
| C41 | C42 | H9 | 109.5° | 109.5° |
| C41 | C42 | H10 | 109.5° | 109.5° |
| C40 | C39 | C38 | 112.0° | 109.2° |
| C40 | C39 | H3 | 108.9° | 109.5° |
| C40 | C39 | H4 | 108.8° | 109.5° |
| C39 | C40 | H5 | 108.5° | 109.5° |
| C42 | N35 | C38 | 109.4° | 111.2° |
| C42 | N35 | C36 | 109.9° | 111.0° |
| N35 | C42 | H9 | 109.5° | 109.5° |
| N35 | C42 | H10 | 109.5° | 109.5° |
| C39 | C38 | N35 | 109.5° | 109.5° |
| C39 | C38 | H1 | 109.5° | 109.4° |
| C39 | C38 | H2 | 109.5° | 109.5° |
| C38 | C39 | H3 | 108.8° | 109.5° |
| C38 | C39 | H4 | 108.8° | 109.5° |
| C38 | N35 | C36 | 110.5° | 111.0° |
| N35 | C38 | H1 | 109.5° | 109.4° |
| N35 | C38 | H2 | 109.5° | 109.4° |
| N35 | C36 | C37 | 110.1° | 109.5° |
| N35 | C36 | H12 | 109.3° | 109.5° |
| N35 | C36 | H13 | 109.3° | 109.5° |
| C36 | C37 | O34 | 110.6° | 109.5° |
| C37 | C36 | H12 | 109.3° | 109.4° |
| C37 | C36 | H13 | 109.3° | 109.4° |
| C36 | C37 | H14 | 109.2° | 109.5° |
| C36 | C37 | H15 | 109.2° | 109.5° |
| C37 | O34 | C9 | 114.3° | 117.0° |
| O34 | C37 | H14 | 109.2° | 109.5° |
| O34 | C37 | H15 | 109.2° | 109.4° |
| O34 | C9 | C8 | 119.3° | 119.9° |
| O34 | C9 | C10 | 120.6° | 119.9° |
| C9 | C8 | C7 | 120.0° | 120.1° |
| C8 | C9 | C10 | 120.1° | 120.2° |
| C9 | C8 | H16 | 120.0° | 119.9° |
| C8 | C7 | C6 | 120.2° | 119.9° |
| C7 | C8 | H16 | 120.0° | 120.0° |
| C8 | C7 | H17 | 119.9° | 120.1° |
| C9 | C10 | C11 | 119.6° | 120.1° |
| C9 | C10 | H18 | 120.2° | 120.0° |
| C7 | C6 | C11 | 119.2° | 119.8° |
| C7 | C6 | C2 | 122.3° | 120.1° |
| C6 | C7 | H17 | 119.9° | 120.0° |
| C10 | C11 | C6 | 120.8° | 119.9° |
| C11 | C10 | H18 | 120.2° | 120.0° |
| C10 | C11 | H19 | 119.6° | 120.0° |
| C11 | C6 | C2 | 118.5° | 120.1° |
| C6 | C11 | H19 | 119.6° | 120.0° |
| C6 | C2 | C1 | 132.6° | 125.2° |
| C6 | C2 | O3 | 118.1° | 125.1° |
| C2 | C1 | C5 | 107.8° | 106.0° |
| C1 | C2 | O3 | 109.3° | 109.7° |
| C2 | C1 | H20 | 126.1° | 127.0° |
| C1 | C5 | C15 | 135.4° | 135.3° |
| C1 | C5 | C4 | 107.7° | 105.9° |
| C5 | C1 | H20 | 126.1° | 127.0° |
| C2 | O3 | C4 | 107.9° | 111.0° |
| C16 | N44 | C15 | 121.3° | 120.0° |
| N44 | C16 | C17 | 112.5° | 109.5° |
| C16 | N44 | H22 | 106.4° | 119.9° |
| N44 | C16 | H23 | 108.7° | 109.4° |
| N44 | C16 | H24 | 108.7° | 109.5° |
| N44 | C15 | C5 | 123.4° | 120.9° |
| N44 | C15 | N14 | 118.4° | 120.9° |
| C15 | N44 | H22 | 106.4° | 120.0° |
| C15 | C5 | C4 | 116.9° | 118.8° |
| C5 | C15 | N14 | 118.2° | 118.2° |
| C5 | C4 | O3 | 107.3° | 107.4° |
| C5 | C4 | N12 | 121.8° | 118.4° |
| O3 | C4 | N12 | 130.8° | 134.1° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C17 | C16 | H23 | 108.7° | 109.4° |
| C17 | C16 | H24 | 108.7° | 109.5° |
| C16 | C17 | H25 | 109.3° | 109.5° |
| C16 | C17 | H26 | 109.3° | 109.5° |
| C22 | C23 | C18 | 119.6° | 120.1° |
| C23 | C22 | C21 | 121.3° | 119.9° |
| C22 | C23 | H29 | 120.2° | 120.0° |
| C23 | C22 | H30 | 119.4° | 120.0° |
| C23 | C18 | C17 | 121.2° | 119.9° |
| C23 | C18 | C19 | 119.0° | 120.2° |
| C18 | C23 | H29 | 120.2° | 120.0° |
| C15 | N14 | C13 | 122.4° | 121.0° |
| C32 | C31 | C30 | 120.5° | 120.1° |
| C31 | C32 | C27 | 120.3° | 119.9° |
| C32 | C31 | H36 | 119.8° | 119.9° |
| C31 | C32 | H37 | 119.9° | 120.1° |
| C31 | C30 | C29 | 119.5° | 120.1° |
| C31 | C30 | H35 | 120.2° | 120.0° |
| C30 | C31 | H36 | 119.7° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | H25 | 109.3° | 109.4° |
| C18 | C17 | H26 | 109.3° | 109.5° |
| C4 | N12 | C13 | 119.3° | 120.8° |
| C22 | C21 | N24 | 122.2° | 120.1° |
| C22 | C21 | C20 | 118.6° | 119.8° |
| C21 | C22 | H30 | 119.3° | 120.0° |
| O33 | C25 | N26 | 121.7° | 120.0° |
| O33 | C25 | N24 | 122.2° | 120.0° |
| C32 | C27 | N26 | 123.3° | 120.0° |
| C32 | C27 | C28 | 118.8° | 119.9° |
| C27 | C32 | H37 | 119.9° | 120.1° |
| C18 | C19 | C20 | 121.5° | 120.0° |
| C18 | C19 | H27 | 119.3° | 120.0° |
| C30 | C29 | C28 | 119.7° | 120.1° |
| C30 | C29 | H34 | 120.2° | 120.0° |
| C29 | C30 | H35 | 120.2° | 119.9° |
| N14 | C13 | N12 | 121.4° | 122.8° |
| N14 | C13 | H21 | 119.3° | 118.6° |
| N26 | C25 | N24 | 116.1° | 120.0° |
| C25 | N26 | C27 | 125.4° | 120.0° |
| C25 | N26 | H32 | 117.3° | 120.0° |
| C25 | N24 | C21 | 124.6° | 120.0° |
| C25 | N24 | H31 | 117.7° | 119.9° |
| N26 | C27 | C28 | 117.9° | 120.1° |
| C27 | N26 | H32 | 117.3° | 120.1° |
| C27 | C28 | C29 | 121.2° | 119.9° |
| C27 | C28 | H33 | 119.4° | 120.0° |
| N12 | C13 | H21 | 119.3° | 118.6° |
| N24 | C21 | C20 | 119.1° | 120.1° |
| C21 | N24 | H31 | 117.7° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.0° |
| C21 | C20 | H28 | 120.0° | 120.0° |
| C29 | C28 | H33 | 119.4° | 120.1° |
| C28 | C29 | H34 | 120.2° | 119.9° |
| C20 | C19 | H27 | 119.3° | 119.9° |
| C19 | C20 | H28 | 120.0° | 120.0° |
| H1 | C38 | H2 | 109.5° | 109.5° |
| H3 | C39 | H4 | 109.5° | 109.6° |
| H7 | C41 | H8 | 109.5° | 109.5° |
| H9 | C42 | H10 | 109.5° | 109.5° |
| H12 | C36 | H13 | 109.5° | 109.4° |
| H14 | C37 | H15 | 109.4° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C40 | C41 | C39 | 121.1° | 119.9° |
| O43 | C40 | C41 | H5 | 120.1° | 120.2° |
| O43 | C40 | C41 | C42 | 171.5° | 177.6° |
| O43 | C40 | C39 | H5 | 120.2° | 120.1° |
| O43 | C40 | C39 | C38 | 170.7° | 177.6° |
| O43 | C40 | C39 | H3 | 50.3° | 62.5° |
| O43 | C40 | C39 | H4 | 68.9° | 57.7° |
| O43 | C40 | C41 | H7 | 68.3° | 62.5° |
| O43 | C40 | C41 | H8 | 51.3° | 57.6° |
| C40 | C41 | C42 | H7 | 120.2° | 119.9° |
| C40 | C41 | C42 | H8 | 120.2° | 120.0° |
| C41 | C40 | C39 | H5 | 118.9° | 120.0° |
| C40 | C41 | C42 | N35 | 58.7° | 59.2° |
| C41 | C40 | C39 | C38 | 49.8° | 57.7° |
| C41 | C40 | C39 | H3 | 70.6° | 177.6° |
| C41 | C40 | C39 | H4 | 170.1° | 62.3° |
| C41 | C40 | O43 | H6 | 180.0° | 60.4° |
| C40 | C41 | H7 | H8 | 119.4° | 120.1° |
| C40 | C41 | C42 | H9 | 61.2° | 60.8° |
| C40 | C41 | C42 | H10 | 178.7° | 179.3° |
| C42 | C41 | C40 | C39 | 50.5° | 57.7° |
| C41 | C42 | N35 | H9 | 119.9° | 120.0° |
| C41 | C42 | N35 | H10 | 120.0° | 120.0° |
| C41 | C42 | N35 | C38 | 65.8° | 61.8° |
| C41 | C42 | N35 | C36 | 172.7° | 174.1° |
| C42 | C41 | C40 | H5 | 68.4° | 62.2° |
| C42 | C41 | H7 | H8 | 119.5° | 120.1° |
| C41 | C42 | H9 | H10 | 120.1° | 120.0° |
| C40 | C39 | C38 | H3 | 120.4° | 119.9° |
| C40 | C39 | C38 | H4 | 120.4° | 119.9° |
| C40 | C39 | C38 | N35 | 56.5° | 59.2° |
| C40 | C39 | C38 | H1 | 176.5° | 179.2° |
| C40 | C39 | C38 | H2 | 63.5° | 60.8° |
| C40 | C39 | H3 | H4 | 118.9° | 120.1° |
| C39 | C40 | O43 | H6 | 58.5° | 180.0° |
| C39 | C40 | C41 | H7 | 170.7° | 177.6° |
| C39 | C40 | C41 | H8 | 69.7° | 62.3° |
| C42 | N35 | C38 | C39 | 64.4° | 61.8° |
| C42 | N35 | C38 | C36 | 121.1° | 124.1° |
| C42 | N35 | C36 | C37 | 175.1° | 66.6° |
| C42 | N35 | C38 | H1 | 175.7° | 178.3° |
| C42 | N35 | C38 | H2 | 55.7° | 58.2° |
| N35 | C42 | C41 | H7 | 178.9° | 179.1° |
| N35 | C42 | C41 | H8 | 61.4° | 60.8° |
| N35 | C42 | H9 | H10 | 120.1° | 120.0° |
| C42 | N35 | C36 | H12 | 64.8° | 173.4° |
| C42 | N35 | C36 | H13 | 55.0° | 53.4° |
| C39 | C38 | N35 | H1 | 120.0° | 120.0° |
| C39 | C38 | N35 | H2 | 120.0° | 120.0° |
| C39 | C38 | N35 | C36 | 174.5° | 174.1° |
| C39 | C38 | H1 | H2 | 120.0° | 120.0° |
| C38 | C39 | H3 | H4 | 118.8° | 120.1° |
| C38 | C39 | C40 | H5 | 69.1° | 62.3° |
| C38 | N35 | C36 | C37 | 64.1° | 169.2° |
| N35 | C38 | H1 | H2 | 120.0° | 120.0° |
| N35 | C38 | C39 | H3 | 63.9° | 179.1° |
| N35 | C38 | C39 | H4 | 176.8° | 60.7° |
| C38 | N35 | C42 | H9 | 54.1° | 58.2° |
| C38 | N35 | C42 | H10 | 174.2° | 178.2° |
| C38 | N35 | C36 | H12 | 56.0° | 49.2° |
| C38 | N35 | C36 | H13 | 175.8° | 70.8° |
| N35 | C36 | C37 | H12 | 120.1° | 120.1° |
| N35 | C36 | C37 | H13 | 120.1° | 120.0° |
| N35 | C36 | C37 | O34 | 49.3° | 64.7° |
| C36 | N35 | C38 | H1 | 54.6° | 54.2° |
| C36 | N35 | C38 | H2 | 65.4° | 65.9° |
| C36 | N35 | C42 | H9 | 67.3° | 65.8° |
| C36 | N35 | C42 | H10 | 52.8° | 54.1° |
| N35 | C36 | H12 | H13 | 119.7° | 120.0° |
| N35 | C36 | C37 | H14 | 70.9° | 175.3° |
| N35 | C36 | C37 | H15 | 169.4° | 55.3° |
| C36 | C37 | O34 | H14 | 120.2° | 120.0° |
| C36 | C37 | O34 | H15 | 120.2° | 120.0° |
| C36 | C37 | O34 | C9 | 173.7° | 179.9° |
| C37 | C36 | H12 | H13 | 119.7° | 119.9° |
| C36 | C37 | H14 | H15 | 119.5° | 120.0° |
| C37 | O34 | C9 | C8 | 175.9° | 0.2° |
| C37 | O34 | C9 | C10 | 4.7° | 180.0° |
| O34 | C37 | C36 | H12 | 169.4° | 55.4° |
| O34 | C37 | C36 | H13 | 70.8° | 175.3° |
| O34 | C37 | H14 | H15 | 119.5° | 120.0° |
| O34 | C9 | C8 | C10 | 179.3° | 179.8° |
| O34 | C9 | C8 | C7 | 179.7° | 180.0° |
| O34 | C9 | C10 | C11 | 179.6° | 179.9° |
| C9 | O34 | C37 | H14 | 53.5° | 60.1° |
| C9 | O34 | C37 | H15 | 66.1° | 60.0° |
| O34 | C9 | C8 | H16 | 0.3° | 0.0° |
| O34 | C9 | C10 | H18 | 0.4° | 0.1° |
| C9 | C8 | C7 | H16 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.3° |
| C9 | C8 | C7 | H17 | 180.0° | 179.9° |
| C8 | C9 | C10 | H18 | 179.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.2° |
| C8 | C7 | C6 | H17 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 0.4° | 0.3° |
| C8 | C7 | C6 | C2 | 179.9° | 180.0° |
| C9 | C10 | C11 | H18 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 1.4° | 0.0° |
| C10 | C9 | C8 | H16 | 179.6° | 179.8° |
| C9 | C10 | C11 | H19 | 178.6° | 179.9° |
| C7 | C6 | C11 | C10 | 1.1° | 0.2° |
| C7 | C6 | C11 | C2 | 179.7° | 179.7° |
| C7 | C6 | C2 | C1 | 2.3° | 179.7° |
| C7 | C6 | C2 | O3 | 179.5° | 0.0° |
| C6 | C7 | C8 | H16 | 180.0° | 179.9° |
| C7 | C6 | C11 | H19 | 178.9° | 179.7° |
| C10 | C11 | C6 | H19 | 180.0° | 179.9° |
| C10 | C11 | C6 | C2 | 179.2° | 180.0° |
| C11 | C6 | C2 | C1 | 177.4° | 0.1° |
| C11 | C6 | C2 | O3 | 0.8° | 179.7° |
| C11 | C6 | C7 | H17 | 179.6° | 179.8° |
| C6 | C11 | C10 | H18 | 178.6° | 180.0° |
| C6 | C2 | C1 | O3 | 178.4° | 179.7° |
| C6 | C2 | C1 | C5 | 178.8° | 180.0° |
| C6 | C2 | O3 | C4 | 179.2° | 180.0° |
| C2 | C6 | C7 | H17 | 0.1° | 0.1° |
| C2 | C6 | C11 | H19 | 0.8° | 0.1° |
| C6 | C2 | C1 | H20 | 1.2° | 0.0° |
| C2 | C1 | C5 | H20 | 180.0° | 180.0° |
| C2 | C1 | C5 | C15 | 179.9° | 180.0° |
| C2 | C1 | C5 | C4 | 0.2° | 0.2° |
| C1 | C2 | O3 | C4 | 0.5° | 0.3° |
| C5 | C1 | C2 | O3 | 0.5° | 0.3° |
| C1 | C5 | C15 | N44 | 0.9° | 0.0° |
| C1 | C5 | C15 | C4 | 179.9° | 179.8° |
| C1 | C5 | C4 | O3 | 0.1° | 0.1° |
| C1 | C5 | C15 | N14 | 179.1° | 179.9° |
| C1 | C5 | C4 | N12 | 179.6° | 179.9° |
| C2 | O3 | C4 | C5 | 0.4° | 0.1° |
| C2 | O3 | C4 | N12 | 179.3° | 180.0° |
| O3 | C2 | C1 | H20 | 179.6° | 179.7° |
| C16 | N44 | C15 | H22 | 121.6° | 180.0° |
| C16 | N44 | C15 | C5 | 177.9° | 180.0° |
| N44 | C16 | C17 | H23 | 120.5° | 120.0° |
| N44 | C16 | C17 | H24 | 120.4° | 120.0° |
| C16 | N44 | C15 | N14 | 2.1° | 0.1° |
| N44 | C16 | C17 | C18 | 174.5° | 180.0° |
| N44 | C16 | H23 | H24 | 118.6° | 120.0° |
| N44 | C16 | C17 | H25 | 54.4° | 60.0° |
| N44 | C16 | C17 | H26 | 65.4° | 59.9° |
| N44 | C15 | C5 | N14 | 180.0° | 179.9° |
| N44 | C15 | C5 | C4 | 179.0° | 179.8° |
| C15 | N44 | C16 | C17 | 82.4° | 180.0° |
| N44 | C15 | N14 | C13 | 179.1° | 179.7° |
| C15 | N44 | C16 | H23 | 38.0° | 60.0° |
| C15 | N44 | C16 | H24 | 157.1° | 60.0° |
| C15 | C5 | C4 | O3 | 179.8° | 179.9° |
| C15 | C5 | C4 | N12 | 0.5° | 0.0° |
| C5 | C15 | N14 | C13 | 0.9° | 0.4° |
| C15 | C5 | C1 | H20 | 0.1° | 0.0° |
| C5 | C15 | N44 | H22 | 60.5° | 0.0° |
| C5 | C4 | O3 | N12 | 179.6° | 179.9° |
| C4 | C5 | C15 | N14 | 1.0° | 0.3° |
| C5 | C4 | N12 | C13 | 0.2° | 0.2° |
| C4 | C5 | C1 | H20 | 179.8° | 179.7° |
| O3 | C4 | N12 | C13 | 179.4° | 180.0° |
| C16 | C17 | C18 | C23 | 95.1° | 90.3° |
| C16 | C17 | C18 | H25 | 120.1° | 120.0° |
| C16 | C17 | C18 | H26 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 84.2° | 89.9° |
| C17 | C16 | N44 | H22 | 39.2° | 0.1° |
| C17 | C16 | H23 | H24 | 118.6° | 120.0° |
| C16 | C17 | H25 | H26 | 119.8° | 120.0° |
| C22 | C23 | C18 | H29 | 180.0° | 179.9° |
| C22 | C23 | C18 | C17 | 178.8° | 179.9° |
| C23 | C22 | C21 | H30 | 180.0° | 179.9° |
| C22 | C23 | C18 | C19 | 0.4° | 0.1° |
| C23 | C22 | C21 | N24 | 178.4° | 179.9° |
| C23 | C22 | C21 | C20 | 0.8° | 0.4° |
| C23 | C18 | C17 | C19 | 179.3° | 179.8° |
| C18 | C23 | C22 | C21 | 0.2° | 0.1° |
| C23 | C18 | C19 | C20 | 0.2° | 0.1° |
| C23 | C18 | C17 | H25 | 25.0° | 149.7° |
| C23 | C18 | C17 | H26 | 144.8° | 29.8° |
| C23 | C18 | C19 | H27 | 179.8° | 179.8° |
| C18 | C23 | C22 | H30 | 179.8° | 179.9° |
| C15 | N14 | C13 | N12 | 0.2° | 0.2° |
| C15 | N14 | C13 | H21 | 179.8° | 179.7° |
| N14 | C15 | N44 | H22 | 119.6° | 179.9° |
| C32 | C31 | C30 | H36 | 180.0° | 179.4° |
| C31 | C32 | C27 | H37 | 180.0° | 179.4° |
| C32 | C31 | C30 | C29 | 0.3° | 0.3° |
| C31 | C32 | C27 | N26 | 179.6° | 179.8° |
| C31 | C32 | C27 | C28 | 0.3° | 0.6° |
| C32 | C31 | C30 | H35 | 179.7° | 179.7° |
| C30 | C31 | C32 | C27 | 0.3° | 0.6° |
| C31 | C30 | C29 | H35 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.1° |
| C31 | C30 | C29 | H34 | 179.7° | 180.0° |
| C30 | C31 | C32 | H37 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 179.5° | 179.9° |
| C18 | C17 | C16 | H23 | 65.0° | 60.1° |
| C18 | C17 | C16 | H24 | 54.1° | 60.0° |
| C18 | C17 | H25 | H26 | 119.7° | 120.0° |
| C17 | C18 | C19 | H27 | 0.5° | 0.0° |
| C17 | C18 | C23 | H29 | 1.1° | 0.1° |
| C4 | N12 | C13 | N14 | 0.4° | 0.1° |
| C4 | N12 | C13 | H21 | 179.6° | 180.0° |
| C22 | C21 | N24 | C25 | 50.8° | 35.2° |
| C22 | C21 | N24 | C20 | 177.6° | 179.7° |
| C22 | C21 | C20 | C19 | 1.4° | 0.4° |
| C22 | C21 | C20 | H28 | 178.5° | 179.8° |
| C21 | C22 | C23 | H29 | 179.8° | 180.0° |
| C22 | C21 | N24 | H31 | 129.2° | 144.7° |
| O33 | C25 | N26 | N24 | 179.9° | 179.9° |
| O33 | C25 | N26 | C27 | 0.7° | 5.0° |
| O33 | C25 | N24 | C21 | 1.9° | 4.5° |
| O33 | C25 | N24 | H31 | 178.1° | 175.4° |
| O33 | C25 | N26 | H32 | 179.3° | 175.0° |
| C32 | C27 | N26 | C25 | 2.9° | 146.0° |
| C32 | C27 | N26 | C28 | 179.3° | 179.6° |
| C32 | C27 | C28 | C29 | 0.3° | 0.4° |
| C32 | C27 | N26 | H32 | 177.0° | 34.0° |
| C32 | C27 | C28 | H33 | 179.7° | 179.8° |
| C27 | C32 | C31 | H36 | 179.7° | 180.0° |
| C18 | C19 | C20 | C21 | 1.2° | 0.1° |
| C18 | C19 | C20 | H27 | 180.0° | 179.9° |
| C19 | C18 | C17 | H25 | 155.7° | 30.1° |
| C19 | C18 | C17 | H26 | 35.9° | 150.0° |
| C18 | C19 | C20 | H28 | 178.8° | 180.0° |
| C19 | C18 | C23 | H29 | 179.6° | 179.7° |
| C30 | C29 | C28 | C27 | 0.3° | 0.1° |
| C30 | C29 | C28 | H34 | 180.0° | 179.9° |
| C30 | C29 | C28 | H33 | 179.7° | 179.9° |
| C29 | C30 | C31 | H36 | 179.7° | 179.8° |
| N14 | C13 | N12 | H21 | 180.0° | 179.9° |
| C25 | N26 | C27 | H32 | 180.0° | 180.0° |
| C25 | N26 | C27 | C28 | 176.3° | 34.4° |
| N26 | C25 | N24 | C21 | 178.0° | 175.4° |
| N26 | C25 | N24 | H31 | 2.0° | 4.6° |
| N24 | C25 | N26 | C27 | 179.2° | 175.0° |
| C25 | N24 | C21 | H31 | 180.0° | 179.9° |
| C25 | N24 | C21 | C20 | 131.6° | 145.1° |
| N24 | C25 | N26 | H32 | 0.8° | 5.1° |
| N26 | C27 | C28 | C29 | 179.6° | 180.0° |
| N26 | C27 | C28 | H33 | 0.4° | 0.2° |
| N26 | C27 | C32 | H37 | 0.4° | 0.4° |
| C27 | C28 | C29 | H33 | 180.0° | 179.9° |
| C28 | C27 | N26 | H32 | 3.7° | 145.7° |
| C27 | C28 | C29 | H34 | 179.7° | 180.0° |
| C28 | C27 | C32 | H37 | 179.7° | 180.0° |
| N24 | C21 | C20 | C19 | 179.1° | 180.0° |
| N24 | C21 | C20 | H28 | 0.9° | 0.1° |
| N24 | C21 | C22 | H30 | 1.6° | 0.0° |
| C21 | C20 | C19 | H28 | 180.0° | 179.9° |
| C21 | C20 | C19 | H27 | 178.8° | 180.0° |
| C20 | C21 | C22 | H30 | 179.2° | 179.7° |
| C20 | C21 | N24 | H31 | 48.4° | 35.0° |
| C28 | C29 | C30 | H35 | 179.7° | 180.0° |
| H1 | C38 | C39 | H3 | 56.1° | 60.9° |
| H1 | C38 | C39 | H4 | 63.2° | 59.2° |
| H2 | C38 | C39 | H3 | 176.1° | 59.1° |
| H2 | C38 | C39 | H4 | 56.8° | 179.3° |
| H3 | C39 | C40 | H5 | 170.5° | 57.7° |
| H4 | C39 | C40 | H5 | 51.2° | 177.8° |
| H5 | C40 | O43 | H6 | 60.8° | 59.9° |
| H5 | C40 | C41 | H7 | 51.8° | 57.7° |
| H5 | C40 | C41 | H8 | 171.4° | 177.8° |
| H7 | C41 | C42 | H9 | 59.0° | 59.1° |
| H7 | C41 | C42 | H10 | 61.1° | 60.8° |
| H8 | C41 | C42 | H9 | 178.6° | 179.2° |
| H8 | C41 | C42 | H10 | 58.5° | 59.2° |
| H12 | C36 | C37 | H14 | 49.2° | 64.6° |
| H12 | C36 | C37 | H15 | 70.5° | 175.3° |
| H13 | C36 | C37 | H14 | 169.0° | 55.3° |
| H13 | C36 | C37 | H15 | 49.3° | 64.8° |
| H16 | C8 | C7 | H17 | 0.0° | 0.0° |
| H18 | C10 | C11 | H19 | 1.4° | 0.1° |
| H22 | N44 | C16 | H23 | 159.6° | 120.0° |
| H22 | N44 | C16 | H24 | 81.3° | 120.0° |
| H23 | C16 | C17 | H25 | 174.9° | 180.0° |
| H23 | C16 | C17 | H26 | 55.1° | 60.0° |
| H24 | C16 | C17 | H25 | 66.0° | 60.0° |
| H24 | C16 | C17 | H26 | 174.2° | 180.0° |
| H27 | C19 | C20 | H28 | 1.2° | 0.1° |
| H29 | C23 | C22 | H30 | 0.2° | 0.1° |
| H33 | C28 | C29 | H34 | 0.3° | 0.1° |
| H34 | C29 | C30 | H35 | 0.3° | 0.0° |
| H35 | C30 | C31 | H36 | 0.3° | 0.3° |
| H36 | C31 | C32 | H37 | 0.3° | 0.6° |
